%chk=000161417.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161417

0 1
 O    4.203000     -0.1786000     -0.1613000    
 O    1.479200       2.528800       1.028000    
 N   -1.505400     -0.4166000     -0.7526000    
 N    1.005900      0.2831000      0.6635000    
 C   -1.031600     -0.7713000       1.696800    
 C   0.2503000      -2.037900      9.3999999E-03
 C   -2.082800     -0.4026000      0.6090000    
 C    1.422000      -1.015800      9.5299996E-02
 C  -0.4324000      -2.143000       1.375900    
 C  -0.8316000      -1.693000      -1.037400    
 C   0.1252000      0.2317000       1.835800    
 C   -2.746800      0.9566000      0.8972000    
 C    2.161700     -0.8811000      -1.239300    
 C   -2.521900     -0.1397000      -1.778000    
 C   -3.804500       1.289200     -0.1502000    
 C   -3.201800       1.208900      -1.546600    
 C    3.240100      0.1827000      -1.144900    
 C    1.668500       1.483900      0.3975000    
 C    2.602700       1.514600     -0.7982000    
 H   -1.546300     -0.8326000       2.664300    
 H   0.6686000      -3.019400     -0.2488000    
 H   -2.872600      -1.168100      0.6580000    
 H    2.138600      -1.415400      0.8277000    
 H   0.2871000      -2.444600       2.146700    
 H   -1.217000      -2.909400       1.357200    
 H  -0.3826000      -1.664800      -2.035900    
 H   -1.568200      -2.508600      -1.061800    
 H  -0.2487000       1.231000       2.076900    
 H   0.7617000     -6.0199998E-02   2.681800    
 H   -2.002800       1.761700      0.8986000    
 H   -3.210300      0.9445000       1.890500    
 H    2.608600      -1.848100      -1.499400    
 H    1.478200     -0.6021000      -2.047800    
 H   -3.280800     -0.9330000      -1.797100    
 H   -2.051200     -0.1168000      -2.768500    
 H   -4.207200       2.292300      2.8000001E-02
 H   -4.641300      0.5851000     -6.6900000E-02
 H   -3.985600       1.361800      -2.297100    
 H   -2.470800       2.016900      -1.677900    
 H    3.765500      0.2598000      -2.103200    
 H    2.015200       1.880800      -1.648700    
 H    3.384700       2.252500     -0.5826000    
 H    4.874800      0.5239000     -0.1358000    


%chk=000161417-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161417

0 1
O 4.161641 -0.107462 -0.086762
O 1.092211 2.550919 0.852934
N -1.495898 -0.444777 -0.742705
N 1.035439 0.226228 0.694915
C -1.018667 -0.816564 1.711276
C 0.263010 -2.082327 0.004357
C -2.063456 -0.390815 0.637792
C 1.459457 -1.080480 0.115890
C -0.443396 -2.210645 1.373066
C -0.815547 -1.724432 -1.044981
C 0.166173 0.158830 1.890735
C -2.653513 1.012257 0.907650
C 2.200117 -0.914569 -1.224330
C -2.515155 -0.125912 -1.773486
C -3.726915 1.382142 -0.139210
C -3.125597 1.271777 -1.558034
C 3.211627 0.233268 -1.166644
C 1.479072 1.471567 0.290581
C 2.456738 1.541587 -0.886087
H -1.554901 -0.855506 2.681070
H 0.703458 -3.058049 -0.285843
H -2.910407 -1.133352 0.716151
H 2.178603 -1.530638 0.835646
H 0.268677 -2.534450 2.157673
H -1.247064 -2.970684 1.318427
H -0.381010 -1.649508 -2.060350
H -1.544305 -2.580991 -1.076882
H -0.157364 1.187983 2.109129
H 0.771039 -0.190168 2.756594
H -1.840204 1.760795 0.867958
H -3.080959 1.031662 1.929714
H 2.713323 -1.863910 -1.460374
H 1.488508 -0.697143 -2.041032
H -3.340684 -0.889897 -1.768829
H -2.028189 -0.181063 -2.766512
H -4.107065 2.404933 0.043272
H -4.592498 0.692517 -0.049782
H -3.897574 1.458936 -2.329395
H -2.331851 2.033362 -1.681275
H 3.761194 0.312272 -2.128945
H 1.877588 1.830364 -1.785376
H 3.143898 2.382786 -0.678060
H 4.737845 0.676258 0.098166


